3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl-dimethyl-(phenylmethyl)azanium bromide

Systemtic Name: 3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl-dimethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[3-(5-chloro-2-phenylsulfanyl-anilino)propyl]-dimethyl-ammonium bromide CAS Name: 3-[5-chloro-2-(phenylthio)anilino]propyl-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[3-(5-chloro-2-phenylsulfanylanilino)propyl]-dimethylazanium bromide Traditional Name: benzyl-[3-[5-chloro-2-(phenylthio)anilino]propyl]-dimethyl-ammonium bromide Formula: C24H28BrClN2S MolecularWeight: 491.91452

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCNC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+](C)(CCCNC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C24H28ClN2S.BrH/c1-27(2,19-20-10-5-3-6-11-20)17-9-16-26-23-18-21(25)14-15-24(23)28-22-12-7-4-8-13-22;/h3-8,10-15,18,26H,9,16-17,19H2,1-2H3;1H/q+1;/p-1